#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot4 n PRO 2 N 0.00 0.04 -4.19 1.57 -0.04 -1.26 -4.97 135.00 126.15 1ot4 n PRO 2 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1ot4 n PRO 2 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1ot4 n PRO 2 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1ot4 s LYS 3 N -1.91 0.89 -0.43 0.54 0.00 -1.26 -4.72 119.74 112.85 1ot4 s LYS 3 Ca 0.00 -1.32 -0.30 0.00 0.00 0.00 0.00 55.97 54.35 1ot4 s LYS 3 Cb 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 37.83 37.35 1ot4 s LYS 3 CO 0.00 0.03 2.32 -0.11 0.00 0.00 0.00 175.35 177.59 1ot4 n LEU 4 N 0.07 2.26 0.11 2.77 -0.00 -1.26 -4.83 117.00 116.11 1ot4 n LEU 4 Ca -0.13 0.05 -0.07 0.00 -0.00 0.00 0.00 56.01 55.87 1ot4 n LEU 4 Cb 0.60 -1.39 -0.04 0.00 -0.00 0.00 0.00 43.42 42.59 1ot4 n LEU 4 CO 0.30 -0.98 0.51 0.58 -0.00 0.00 0.00 177.39 177.80 1ot4 h VAL 5 N 7.40 0.00 -2.47 1.96 2.07 -1.98 -3.46 116.25 119.76 1ot4 h VAL 5 Ca -0.27 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1ot4 h VAL 5 Cb 1.29 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.87 1ot4 h VAL 5 CO 1.09 0.00 0.00 -0.44 0.02 0.00 0.00 177.57 178.24 1ot4 s SER 6 N -2.96 -0.46 0.22 0.57 0.01 -1.22 -5.07 113.70 104.78 1ot4 s SER 6 Ca -0.06 0.42 -0.19 0.00 1.31 0.00 0.00 55.95 57.43 1ot4 s SER 6 Cb 0.01 0.45 0.03 0.00 0.21 0.00 0.00 66.02 66.72 1ot4 s SER 6 CO 0.21 -0.57 0.58 -0.94 0.41 0.00 0.00 173.24 172.93 1ot4 s SER 7 N -1.35 -0.28 -0.39 2.44 1.04 -1.26 0.54 113.70 114.44 1ot4 s SER 7 Ca -0.11 -0.50 0.12 0.00 0.48 0.00 0.00 55.95 55.94 1ot4 s SER 7 Cb -0.02 0.62 0.36 0.00 0.10 0.00 0.00 66.02 67.08 1ot4 s SER 7 CO 0.06 -1.13 0.77 0.41 0.98 0.00 0.00 173.24 174.33 1ot4 n THR 8 N -0.38 0.28 -0.01 2.02 -1.04 0.14 -4.92 114.28 110.38 1ot4 n THR 8 Ca -0.08 -4.61 -0.11 0.00 -2.04 0.00 0.00 64.05 57.20 1ot4 n THR 8 Cb 0.62 -0.34 -0.09 0.00 -1.82 0.00 0.00 70.33 68.70 1ot4 n THR 8 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1ot4 h PRO 9 N 2.99 -0.08 0.00 -2.82 0.13 -1.86 -1.37 132.00 128.98 1ot4 h PRO 9 Ca 0.09 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ot4 h PRO 9 Cb 0.93 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1ot4 h PRO 9 CO 0.54 0.50 0.00 0.00 -0.23 0.00 0.00 178.00 178.81 1ot4 n ALA 10 N -2.55 0.00 -1.34 -0.56 0.00 -1.26 -4.56 120.51 110.23 1ot4 n ALA 10 Ca -0.08 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.82 1ot4 n ALA 10 Cb 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 1ot4 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ot4 n GLU 11 N 0.00 0.22 -3.33 0.00 1.02 -1.26 0.39 120.64 117.68 1ot4 n GLU 11 Ca 0.00 0.05 -0.18 0.00 -0.02 0.00 0.00 57.16 57.01 1ot4 n GLU 11 Cb 0.00 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 1ot4 n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ot4 n GLY 12 N 7.09 -0.45 3.55 0.62 0.00 0.19 -4.74 105.19 111.45 1ot4 n GLY 12 Ca 0.54 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 46.22 1ot4 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ot4 s SER 13 N -2.49 5.24 -0.21 1.61 0.01 0.16 -4.71 113.70 113.31 1ot4 s SER 13 Ca 0.35 0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.76 1ot4 s SER 13 Cb -0.21 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 1ot4 s SER 13 CO 0.43 -2.44 0.00 -1.61 0.41 0.00 0.00 173.24 170.04 1ot4 s GLU 14 N 7.05 3.56 0.00 12.44 2.02 -1.26 0.07 118.70 142.58 1ot4 s GLU 14 Ca 0.68 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.13 1ot4 s GLU 14 Cb -0.12 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.01 1ot4 s GLU 14 CO 0.18 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.78 1ot4 n GLY 15 N 4.53 2.74 3.58 -1.39 0.00 -1.22 -4.94 105.19 108.48 1ot4 n GLY 15 Ca -0.17 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 1ot4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ot4 s ALA 16 N 0.00 -1.96 0.09 4.61 0.00 -1.25 -0.69 121.76 122.56 1ot4 s ALA 16 Ca 0.00 1.13 -0.24 0.00 0.00 0.00 0.00 51.96 52.85 1ot4 s ALA 16 Cb 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 23.12 23.26 1ot4 s ALA 16 CO 0.00 -0.73 0.73 0.00 0.00 0.00 0.00 175.76 175.75 1ot4 s ALA 17 N -2.75 3.44 1.08 0.00 0.00 -1.26 -4.72 121.76 117.54 1ot4 s ALA 17 Ca 0.09 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 1ot4 s ALA 17 Cb -0.00 -2.91 0.16 0.00 0.00 0.00 0.00 23.12 20.37 1ot4 s ALA 17 CO -0.05 0.20 0.75 -0.35 0.00 0.00 0.00 175.76 176.31 1ot4 n PRO 18 N 2.21 -1.56 -0.05 0.00 -0.04 -1.26 -5.01 135.00 129.29 1ot4 n PRO 18 Ca -0.05 -1.18 -0.13 0.00 -0.04 0.00 0.00 63.50 62.09 1ot4 n PRO 18 Cb 0.50 -0.93 -0.12 0.00 -0.04 0.00 0.00 33.50 32.91 1ot4 n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ot4 h ALA 19 N -2.16 -0.01 -2.68 0.55 0.00 -1.97 -3.48 119.26 109.52 1ot4 h ALA 19 Ca -0.26 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.18 1ot4 h ALA 19 Cb 0.76 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.41 1ot4 h ALA 19 CO 0.18 -0.08 -0.01 -1.59 0.00 0.00 0.00 179.25 177.75 1ot4 s LYS 20 N -2.82 1.06 0.15 0.00 0.00 -1.26 -4.73 119.74 112.14 1ot4 s LYS 20 Ca -0.18 -0.49 -0.25 0.00 0.00 0.00 0.00 55.97 55.06 1ot4 s LYS 20 Cb -0.02 0.48 -0.08 0.00 0.00 0.00 0.00 37.83 38.21 1ot4 s LYS 20 CO 0.67 -0.41 0.75 0.42 0.00 0.00 0.00 175.35 176.78 1ot4 s ILE 21 N -3.19 4.42 0.05 3.79 1.09 0.88 -4.88 121.20 123.37 1ot4 s ILE 21 Ca -0.01 1.64 0.04 0.00 -1.10 0.00 0.00 60.65 61.22 1ot4 s ILE 21 Cb 0.00 -4.11 -0.04 0.00 -1.06 0.00 0.00 42.46 37.26 1ot4 s ILE 21 CO -0.08 0.52 -0.02 -1.61 -0.10 0.00 0.00 174.94 173.66 1ot4 s GLU 22 N -1.12 2.57 -0.09 2.79 2.02 -0.52 -0.00 118.70 124.34 1ot4 s GLU 22 Ca 0.35 -0.78 -0.10 0.00 0.02 0.00 0.00 54.97 54.46 1ot4 s GLU 22 Cb -0.23 -2.54 0.03 0.00 0.10 0.00 0.00 34.13 31.49 1ot4 s GLU 22 CO 0.25 0.57 0.27 -0.51 0.02 0.00 0.00 175.26 175.86 1ot4 s LEU 23 N -1.96 0.98 0.06 1.80 1.43 0.14 0.27 118.68 121.40 1ot4 s LEU 23 Ca 0.22 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.84 1ot4 s LEU 23 Cb -0.11 0.94 -0.03 0.00 0.03 0.00 0.00 46.19 47.02 1ot4 s LEU 23 CO 0.14 -0.13 -0.11 -1.00 0.23 0.00 0.00 176.35 175.49 1ot4 s HIS 24 N -0.01 0.95 -0.23 0.29 3.76 0.19 0.14 115.29 120.38 1ot4 s HIS 24 Ca -0.01 -0.51 -0.12 0.00 -0.15 0.00 0.00 55.06 54.27 1ot4 s HIS 24 Cb -0.02 -0.54 0.08 0.00 1.11 0.00 0.00 32.58 33.20 1ot4 s HIS 24 CO 0.01 -0.02 0.54 -0.06 -0.85 0.00 0.00 174.74 174.36 1ot4 s PHE 25 N -1.53 -0.87 -0.43 1.40 0.08 -0.65 -3.43 117.98 112.56 1ot4 s PHE 25 Ca -0.04 1.73 0.25 0.00 0.12 0.00 0.00 56.93 58.98 1ot4 s PHE 25 Cb -0.09 0.46 1.02 0.00 -0.57 0.00 0.00 43.02 43.84 1ot4 s PHE 25 CO 0.01 -0.46 1.74 0.77 -0.10 0.00 0.00 175.22 177.18 1ot4 h SER 26 N 7.27 0.00 0.00 1.36 0.02 -1.93 -3.41 113.55 116.87 1ot4 h SER 26 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1ot4 h SER 26 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ot4 h SER 26 CO 0.21 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.28 1ot4 n GLU 27 N -2.32 0.00 -0.13 3.45 1.02 -1.26 -5.05 120.64 116.36 1ot4 n GLU 27 Ca 0.02 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.97 1ot4 n GLU 27 Cb 0.24 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.54 1ot4 n GLU 27 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ot4 n ASN 28 N 0.00 2.03 -3.50 1.62 6.94 -1.26 -4.94 115.26 116.15 1ot4 n ASN 28 Ca 0.00 -0.08 -0.24 0.00 -0.02 0.00 0.00 54.58 54.25 1ot4 n ASN 28 Cb 0.00 -0.45 0.01 0.00 -2.36 0.00 0.00 39.78 36.98 1ot4 n ASN 28 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ot4 n LEU 29 N -3.36 -1.62 0.00 -4.53 -0.00 -1.26 -4.70 117.00 101.54 1ot4 n LEU 29 Ca -0.46 -0.69 0.00 0.00 -0.00 0.00 0.00 56.01 54.87 1ot4 n LEU 29 Cb 0.96 -1.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 1ot4 n LEU 29 CO 0.22 0.28 0.00 0.52 -0.00 0.00 0.00 177.39 178.41 1ot4 n VAL 30 N -1.85 0.00 -2.46 1.47 0.31 -1.26 -4.56 118.33 109.97 1ot4 n VAL 30 Ca -0.24 0.44 -0.03 0.00 -0.01 0.00 0.00 64.34 64.50 1ot4 n VAL 30 Cb 0.59 -0.95 -0.01 0.00 -0.91 0.00 0.00 33.84 32.56 1ot4 n VAL 30 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1ot4 n THR 31 N 0.00 0.00 -2.71 2.52 5.66 -1.26 -4.63 114.28 113.86 1ot4 n THR 31 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1ot4 n THR 31 Cb 0.00 -0.04 0.10 0.00 -1.55 0.00 0.00 70.33 68.85 1ot4 n THR 31 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1ot4 n GLN 32 N -2.37 1.16 -3.93 1.09 -0.06 -1.26 -5.01 117.38 107.00 1ot4 n GLN 32 Ca 0.01 -1.98 -0.41 0.00 -2.00 0.00 0.00 57.00 52.62 1ot4 n GLN 32 Cb 0.45 -0.34 0.03 0.00 -4.06 0.00 0.00 30.24 26.31 1ot4 n GLN 32 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1ot4 n PHE 33 N -0.37 -1.61 -4.41 3.69 3.01 -1.26 -4.61 117.46 111.91 1ot4 n PHE 33 Ca 0.00 0.24 -0.26 0.00 1.01 0.00 0.00 57.45 58.44 1ot4 n PHE 33 Cb 0.82 -3.00 -0.09 0.00 -0.01 0.00 0.00 39.48 37.19 1ot4 n PHE 33 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ot4 s SER 34 N -3.47 4.10 0.00 4.37 0.15 -1.26 -4.79 113.70 112.79 1ot4 s SER 34 Ca 0.46 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.91 1ot4 s SER 34 Cb -0.22 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 1ot4 s SER 34 CO 0.93 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 175.55 1ot4 n GLY 35 N -1.05 0.05 3.69 9.45 0.00 -0.66 -4.99 105.19 111.68 1ot4 n GLY 35 Ca -0.04 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 1ot4 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ot4 s ALA 36 N -1.00 -0.44 -0.22 4.61 0.00 -1.26 0.16 121.76 123.60 1ot4 s ALA 36 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 1ot4 s ALA 36 Cb 0.00 0.95 0.07 0.00 0.00 0.00 0.00 23.12 24.14 1ot4 s ALA 36 CO 0.00 -0.92 0.54 0.15 0.00 0.00 0.00 175.76 175.53 1ot4 s LYS 37 N -3.52 0.53 0.09 0.00 -0.14 0.94 -4.91 119.74 112.73 1ot4 s LYS 37 Ca 0.19 1.03 -0.17 0.00 -1.36 0.00 0.00 55.97 55.66 1ot4 s LYS 37 Cb -0.03 0.12 -0.07 0.00 -1.68 0.00 0.00 37.83 36.18 1ot4 s LYS 37 CO 0.11 -0.16 0.54 -1.17 -0.76 0.00 0.00 175.35 173.90 1ot4 s LEU 38 N 1.68 4.45 -0.02 3.17 2.96 -1.26 -1.08 118.68 128.58 1ot4 s LEU 38 Ca -0.09 1.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 1ot4 s LEU 38 Cb -0.08 -2.99 0.02 0.00 0.50 0.00 0.00 46.19 43.64 1ot4 s LEU 38 CO -0.16 0.22 -0.00 0.68 -1.32 0.00 0.00 176.35 175.76 1ot4 s VAL 39 N -1.24 0.12 -0.68 1.68 -7.23 -0.99 -1.32 120.40 110.74 1ot4 s VAL 39 Ca 0.32 0.05 -0.20 0.00 -1.81 0.00 0.00 61.98 60.33 1ot4 s VAL 39 Cb -0.17 -0.18 0.10 0.00 0.56 0.00 0.00 36.38 36.69 1ot4 s VAL 39 CO 0.18 0.09 0.87 -0.32 -0.31 0.00 0.00 175.10 175.62 1ot4 s MET 40 N 0.61 3.18 -0.71 4.82 1.75 0.40 -0.65 119.30 128.70 1ot4 s MET 40 Ca -0.06 -1.27 0.03 0.00 -1.25 0.00 0.00 55.69 53.14 1ot4 s MET 40 Cb -0.08 -4.37 0.34 0.00 2.84 0.00 0.00 34.83 33.55 1ot4 s MET 40 CO -0.01 -1.67 1.23 -2.37 -0.65 0.00 0.00 175.02 171.55 1ot4 n THR 41 N 5.60 3.98 -2.80 10.11 5.66 -0.92 -2.40 114.28 133.52 1ot4 n THR 41 Ca -0.01 -5.67 -0.40 0.00 -3.05 0.00 0.00 64.05 54.91 1ot4 n THR 41 Cb 0.45 -1.44 -0.05 0.00 -1.55 0.00 0.00 70.33 67.74 1ot4 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ot4 s ALA 42 N -3.74 3.31 0.37 1.79 0.00 -0.37 -4.71 121.76 118.41 1ot4 s ALA 42 Ca 0.46 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1ot4 s ALA 42 Cb 0.26 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1ot4 s ALA 42 CO -0.14 0.08 0.00 -0.12 0.00 0.00 0.00 175.76 175.58 1ot4 n MET 43 N 2.32 -3.80 -1.99 0.00 0.00 -1.26 -4.59 117.12 107.79 1ot4 n MET 43 Ca -0.00 2.80 -0.38 0.00 -0.00 0.00 0.00 57.70 60.11 1ot4 n MET 43 Cb 0.49 -3.12 -0.03 0.00 0.00 0.00 0.00 33.22 30.55 1ot4 n MET 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1ot4 n PRO 44 N -0.44 2.32 0.26 2.12 -0.04 -1.26 -4.73 135.00 133.22 1ot4 n PRO 44 Ca 0.00 -2.63 -0.11 0.00 -0.04 0.00 0.00 63.50 60.72 1ot4 n PRO 44 Cb 0.00 -3.42 -0.05 0.00 -0.04 0.00 0.00 33.50 29.99 1ot4 n PRO 44 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ot4 h GLY 45 N 13.96 -0.72 -1.83 0.55 0.00 -1.93 -3.48 103.07 109.62 1ot4 h GLY 45 Ca 0.39 0.27 -0.46 0.00 0.00 0.00 0.00 47.33 47.53 1ot4 h GLY 45 CO 1.56 -0.26 -0.55 1.06 0.00 0.00 0.00 176.54 178.35 1ot4 s MET 46 N -3.93 1.69 -0.84 4.80 -1.94 -1.26 -5.04 119.30 112.78 1ot4 s MET 46 Ca -0.10 -1.98 -0.21 0.00 -1.71 0.00 0.00 55.69 51.69 1ot4 s MET 46 Cb 0.01 -0.27 -0.19 0.00 2.01 0.00 0.00 34.83 36.38 1ot4 s MET 46 CO 0.30 -0.44 2.30 -1.91 -0.01 0.00 0.00 175.02 175.26 1ot4 n GLU 47 N -0.67 0.38 -3.11 2.03 0.00 -1.26 -3.36 120.64 114.64 1ot4 n GLU 47 Ca -0.01 -0.69 -0.15 0.00 0.00 0.00 0.00 57.16 56.31 1ot4 n GLU 47 Cb 0.65 -3.01 0.02 0.00 0.00 0.00 0.00 31.44 29.10 1ot4 n GLU 47 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1ot4 n HIS 48 N 15.34 -2.59 -3.59 4.31 8.25 -1.26 -4.96 115.22 130.72 1ot4 n HIS 48 Ca 0.50 1.09 -0.27 0.00 -0.26 0.00 0.00 57.72 58.78 1ot4 n HIS 48 Cb 0.36 -2.67 -0.10 0.00 1.12 0.00 0.00 29.99 28.70 1ot4 n HIS 48 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ot4 n SER 49 N 0.27 2.13 -4.78 0.41 7.64 -1.21 -5.10 113.62 112.97 1ot4 n SER 49 Ca 0.00 -3.03 -0.37 0.00 1.01 0.00 0.00 58.87 56.49 1ot4 n SER 49 Cb 0.46 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 1ot4 n SER 49 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ot4 s PRO 50 N -1.38 4.16 -0.34 1.43 0.04 -1.26 -4.80 135.00 132.86 1ot4 s PRO 50 Ca 0.32 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 1ot4 s PRO 50 Cb 0.05 -2.55 0.05 0.00 0.04 0.00 0.00 34.50 32.09 1ot4 s PRO 50 CO -0.13 -0.14 0.10 -1.64 0.04 0.00 0.00 177.00 175.22 1ot4 s MET 51 N -2.49 2.53 0.32 4.56 -1.94 -1.01 -4.89 119.30 116.38 1ot4 s MET 51 Ca 0.58 -1.26 -0.29 0.00 -1.71 0.00 0.00 55.69 53.01 1ot4 s MET 51 Cb -0.22 -3.42 -0.13 0.00 2.01 0.00 0.00 34.83 33.07 1ot4 s MET 51 CO 0.28 -0.70 1.31 0.00 -0.01 0.00 0.00 175.02 175.90 1ot4 n ALA 52 N 4.76 1.26 -2.32 3.03 0.00 -1.26 0.15 120.51 126.13 1ot4 n ALA 52 Ca -0.12 0.37 -0.21 0.00 0.00 0.00 0.00 53.44 53.49 1ot4 n ALA 52 Cb 0.44 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 1ot4 n ALA 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ot4 s VAL 53 N -0.87 3.03 -0.81 0.00 0.11 -0.43 -4.77 120.40 116.65 1ot4 s VAL 53 Ca 0.58 -1.33 -0.19 0.00 -2.93 0.00 0.00 61.98 58.12 1ot4 s VAL 53 Cb -0.58 -3.08 0.13 0.00 -1.53 0.00 0.00 36.38 31.32 1ot4 s VAL 53 CO 0.60 -0.07 0.97 -0.54 -3.33 0.00 0.00 175.10 172.73 1ot4 s LYS 54 N -4.09 3.42 0.33 1.54 1.02 -1.26 -4.81 119.74 115.88 1ot4 s LYS 54 Ca 0.46 -1.65 0.04 0.00 0.02 0.00 0.00 55.97 54.84 1ot4 s LYS 54 Cb -0.05 -4.62 -0.04 0.00 -0.52 0.00 0.00 37.83 32.60 1ot4 s LYS 54 CO 0.28 -1.67 0.16 0.00 -0.92 0.00 0.00 175.35 173.20 1ot4 s ALA 55 N 2.51 2.13 0.03 5.17 0.00 -1.26 -2.31 121.76 128.04 1ot4 s ALA 55 Ca 0.25 -1.70 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 1ot4 s ALA 55 Cb -0.11 1.09 -0.03 0.00 0.00 0.00 0.00 23.12 24.08 1ot4 s ALA 55 CO -0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 175.76 175.22 1ot4 s ALA 56 N -3.51 0.27 -0.19 0.00 0.00 -0.89 -4.85 121.76 112.59 1ot4 s ALA 56 Ca 0.34 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 1ot4 s ALA 56 Cb 0.04 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1ot4 s ALA 56 CO 0.18 -0.26 0.02 0.14 0.00 0.00 0.00 175.76 175.83 1ot4 s VAL 57 N -2.59 4.24 -0.03 0.00 -7.23 -1.26 -1.21 120.40 112.32 1ot4 s VAL 57 Ca -0.05 -0.22 -0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1ot4 s VAL 57 Cb -0.02 -2.91 0.03 0.00 0.56 0.00 0.00 36.38 34.05 1ot4 s VAL 57 CO -0.05 0.44 0.05 -0.44 -0.31 0.00 0.00 175.10 174.79 1ot4 s SER 58 N 0.72 0.04 0.84 4.85 0.01 0.74 -4.99 113.70 115.90 1ot4 s SER 58 Ca 0.01 0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.23 1ot4 s SER 58 Cb -0.14 -0.02 0.09 0.00 0.21 0.00 0.00 66.02 66.16 1ot4 s SER 58 CO 0.02 -0.12 1.10 -0.83 0.41 0.00 0.00 173.24 173.82 1ot4 s GLY 59 N 0.99 1.62 -0.82 3.44 0.00 -1.26 0.36 107.32 111.65 1ot4 s GLY 59 Ca -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 1ot4 s GLY 59 CO -0.03 0.27 1.83 0.61 0.00 0.00 0.00 173.10 175.78 1ot4 n GLY 60 N -1.80 5.70 0.00 0.20 0.00 -0.64 -4.70 105.19 103.95 1ot4 n GLY 60 Ca 0.07 -2.55 0.00 0.00 0.00 0.00 0.00 46.02 43.54 1ot4 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ot4 n GLY 61 N -0.43 2.50 3.94 -0.02 0.00 -1.26 -4.92 105.19 105.00 1ot4 n GLY 61 Ca 0.50 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1ot4 n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ot4 s ASP 62 N 0.00 6.35 0.00 1.61 1.11 -1.26 -4.98 116.67 119.50 1ot4 s ASP 62 Ca 0.00 0.22 0.23 0.00 0.18 0.00 0.00 52.55 53.18 1ot4 s ASP 62 Cb 0.00 -1.93 1.38 0.00 1.07 0.00 0.00 42.92 43.44 1ot4 s ASP 62 CO 0.00 0.03 1.76 -0.81 1.18 0.00 0.00 175.17 177.33 1ot4 n PRO 63 N -0.60 0.75 0.08 8.23 -0.04 -1.26 -2.70 135.00 139.46 1ot4 n PRO 63 Ca -0.07 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.17 1ot4 n PRO 63 Cb 0.54 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 1ot4 n PRO 63 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1ot4 h LYS 64 N 0.00 0.40 -5.24 0.54 2.10 -1.94 -3.40 116.57 109.03 1ot4 h LYS 64 Ca 0.00 -0.69 -0.60 0.00 -2.00 0.00 0.00 60.65 57.36 1ot4 h LYS 64 Cb 0.00 0.26 -0.13 0.00 -0.90 0.00 0.00 32.23 31.46 1ot4 h LYS 64 CO 0.00 1.32 -0.50 0.99 -2.00 0.00 0.00 179.45 179.26 1ot4 s THR 65 N -2.58 5.38 0.17 0.07 2.01 -1.10 -1.64 115.64 117.95 1ot4 s THR 65 Ca -0.15 0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.11 1ot4 s THR 65 Cb 0.05 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1ot4 s THR 65 CO 0.86 0.43 -0.03 -0.04 -0.69 0.00 0.00 174.62 175.15 1ot4 s MET 66 N 0.46 2.30 -0.13 4.92 -1.94 0.12 -1.62 119.30 123.42 1ot4 s MET 66 Ca 0.08 -1.14 -0.04 0.00 -1.71 0.00 0.00 55.69 52.87 1ot4 s MET 66 Cb -0.11 -2.31 0.06 0.00 2.01 0.00 0.00 34.83 34.48 1ot4 s MET 66 CO -0.01 0.45 0.24 0.08 -0.01 0.00 0.00 175.02 175.78 1ot4 s VAL 67 N -1.69 -0.38 -0.23 -6.03 1.01 0.16 0.29 120.40 113.52 1ot4 s VAL 67 Ca 0.26 0.27 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 1ot4 s VAL 67 Cb -0.09 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1ot4 s VAL 67 CO 0.17 0.10 0.46 -0.63 0.00 0.00 0.00 175.10 175.21 1ot4 s ILE 68 N 2.39 5.13 -0.24 2.22 1.09 1.00 -0.19 121.20 132.60 1ot4 s ILE 68 Ca 0.02 0.81 0.01 0.00 -1.10 0.00 0.00 60.65 60.39 1ot4 s ILE 68 Cb -0.12 -3.79 0.06 0.00 -1.06 0.00 0.00 42.46 37.55 1ot4 s ILE 68 CO -0.08 0.16 -0.06 -0.89 -0.10 0.00 0.00 174.94 173.97 1ot4 s THR 69 N 1.82 1.57 0.17 2.92 2.01 -0.35 -0.08 115.64 123.71 1ot4 s THR 69 Ca 0.20 -1.24 -0.30 0.00 0.31 0.00 0.00 61.69 60.66 1ot4 s THR 69 Cb -0.15 -1.82 -0.08 0.00 0.01 0.00 0.00 72.50 70.46 1ot4 s THR 69 CO 0.09 -0.09 1.12 -2.16 -0.69 0.00 0.00 174.62 172.89 1ot4 s PRO 70 N 1.38 4.57 0.50 4.92 0.04 -1.26 -2.09 135.00 143.06 1ot4 s PRO 70 Ca -0.06 1.75 0.29 0.00 0.04 0.00 0.00 61.00 63.02 1ot4 s PRO 70 Cb -0.19 -3.27 1.04 0.00 0.04 0.00 0.00 34.50 32.12 1ot4 s PRO 70 CO -0.06 0.03 1.86 0.00 0.04 0.00 0.00 177.00 178.87 1ot4 h ALA 71 N 5.19 1.00 -3.05 8.56 0.00 -1.79 -3.44 119.26 125.73 1ot4 h ALA 71 Ca -0.44 -0.04 -0.62 0.00 0.00 0.00 0.00 54.91 53.81 1ot4 h ALA 71 Cb 1.21 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1ot4 h ALA 71 CO 0.73 0.06 -0.64 0.45 0.00 0.00 0.00 179.25 179.85 1ot4 s SER 72 N -5.90 5.08 0.13 0.00 0.15 -1.23 -5.09 113.70 106.84 1ot4 s SER 72 Ca 0.02 -0.23 -0.30 0.00 0.70 0.00 0.00 55.95 56.14 1ot4 s SER 72 Cb 0.08 -1.21 -0.07 0.00 -1.71 0.00 0.00 66.02 63.12 1ot4 s SER 72 CO 0.59 0.12 1.13 -2.16 1.20 0.00 0.00 173.24 174.13 1ot4 s PRO 73 N -2.69 4.53 -0.33 5.44 0.04 -1.26 -4.99 135.00 135.74 1ot4 s PRO 73 Ca 0.28 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 62.78 1ot4 s PRO 73 Cb -0.11 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1ot4 s PRO 73 CO 0.20 -0.05 0.96 -0.51 0.04 0.00 0.00 177.00 177.63 1ot4 s LEU 74 N 0.16 3.99 0.36 -3.56 1.43 -1.26 -5.03 118.68 114.77 1ot4 s LEU 74 Ca 0.53 0.83 0.07 0.00 -1.03 0.00 0.00 54.13 54.53 1ot4 s LEU 74 Cb -0.29 -3.34 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 1ot4 s LEU 74 CO 0.33 -0.80 0.44 0.42 0.23 0.00 0.00 176.35 176.98 1ot4 s THR 75 N 3.40 3.65 0.73 5.49 -4.23 -1.26 -4.68 115.64 118.75 1ot4 s THR 75 Ca 0.40 -1.10 -0.17 0.00 -1.18 0.00 0.00 61.69 59.63 1ot4 s THR 75 Cb -0.13 -3.25 -0.14 0.00 1.34 0.00 0.00 72.50 70.32 1ot4 s THR 75 CO 0.15 -0.12 -0.38 0.00 -0.54 0.00 0.00 174.62 173.73 1ot4 n ALA 76 N -1.62 -4.04 0.00 3.99 0.00 -1.26 -4.80 120.51 112.78 1ot4 n ALA 76 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1ot4 n ALA 76 Cb 0.59 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1ot4 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ot4 n GLY 77 N 2.88 0.80 2.83 0.00 0.00 0.12 -4.91 105.19 106.91 1ot4 n GLY 77 Ca 0.04 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 1ot4 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ot4 s THR 78 N -2.92 -0.06 0.33 2.61 2.01 -1.26 0.08 115.64 116.43 1ot4 s THR 78 Ca 0.00 0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.24 1ot4 s THR 78 Cb 0.00 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 1ot4 s THR 78 CO 0.00 0.08 0.15 -0.31 -0.69 0.00 0.00 174.62 173.86 1ot4 s TYR 79 N 1.11 1.67 -0.16 4.92 1.51 -0.63 -1.24 117.35 124.54 1ot4 s TYR 79 Ca -0.09 -1.34 -0.04 0.00 -1.01 0.00 0.00 57.07 54.59 1ot4 s TYR 79 Cb -0.12 -0.94 0.08 0.00 -0.11 0.00 0.00 41.96 40.86 1ot4 s TYR 79 CO -0.04 -0.46 0.25 0.21 -1.11 0.00 0.00 175.55 174.40 1ot4 s LYS 80 N -3.78 0.17 -0.54 -0.62 2.36 0.18 -1.43 119.74 116.08 1ot4 s LYS 80 Ca 0.33 0.52 -0.25 0.00 -2.55 0.00 0.00 55.97 54.02 1ot4 s LYS 80 Cb 0.05 -0.52 0.04 0.00 -1.05 0.00 0.00 37.83 36.35 1ot4 s LYS 80 CO 0.17 -0.45 0.97 0.08 1.55 0.00 0.00 175.35 177.68 1ot4 s VAL 81 N 2.38 4.35 -0.43 4.02 1.01 0.52 -2.35 120.40 129.91 1ot4 s VAL 81 Ca 0.04 0.46 -0.19 0.00 0.00 0.00 0.00 61.98 62.29 1ot4 s VAL 81 Cb -0.14 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.72 1ot4 s VAL 81 CO -0.10 -1.09 0.55 -1.81 0.00 0.00 0.00 175.10 172.65 1ot4 s ASP 82 N 2.74 6.27 0.15 3.32 1.11 -0.24 0.34 116.67 130.36 1ot4 s ASP 82 Ca 0.34 -0.48 0.05 0.00 0.18 0.00 0.00 52.55 52.63 1ot4 s ASP 82 Cb -0.11 -2.28 -0.04 0.00 1.07 0.00 0.00 42.92 41.56 1ot4 s ASP 82 CO 0.22 -0.69 0.13 -1.66 1.18 0.00 0.00 175.17 174.34 1ot4 s TRP 83 N 2.52 3.15 -0.12 4.23 1.48 0.46 -0.04 118.94 130.63 1ot4 s TRP 83 Ca 0.18 -0.01 -0.07 0.00 -1.06 0.00 0.00 56.10 55.15 1ot4 s TRP 83 Cb -0.15 -1.52 0.05 0.00 -1.16 0.00 0.00 33.47 30.68 1ot4 s TRP 83 CO 0.17 0.52 0.28 1.03 -4.06 0.00 0.00 176.95 174.89 1ot4 s ARG 84 N -3.00 0.26 -0.16 3.25 0.52 0.12 -0.12 118.95 119.83 1ot4 s ARG 84 Ca 0.31 0.55 -0.03 0.00 -0.52 0.00 0.00 55.73 56.04 1ot4 s ARG 84 Cb -0.10 -0.06 -0.02 0.00 0.52 0.00 0.00 34.95 35.29 1ot4 s ARG 84 CO 0.23 -0.14 -0.06 0.00 0.02 0.00 0.00 175.30 175.35 1ot4 s ALA 85 N 1.11 2.88 -0.10 2.13 0.00 -0.10 -1.65 121.76 126.03 1ot4 s ALA 85 Ca -0.08 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.01 1ot4 s ALA 85 Cb -0.09 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.55 1ot4 s ALA 85 CO -0.08 0.13 -0.15 0.08 0.00 0.00 0.00 175.76 175.74 1ot4 s VAL 86 N 0.52 1.43 -0.00 0.00 1.01 -1.26 -1.56 120.40 120.54 1ot4 s VAL 86 Ca -0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1ot4 s VAL 86 Cb -0.15 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1ot4 s VAL 86 CO 0.03 0.43 -0.07 -0.24 0.00 0.00 0.00 175.10 175.24 1ot4 n SER 87 N 4.10 0.89 -3.69 3.32 2.88 -1.26 -4.41 113.62 115.45 1ot4 n SER 87 Ca -0.20 0.13 -0.03 0.00 -1.33 0.00 0.00 58.87 57.44 1ot4 n SER 87 Cb 0.51 -0.31 -0.01 0.00 -0.75 0.00 0.00 64.21 63.65 1ot4 n SER 87 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ot4 s SER 88 N -5.77 -0.18 0.22 -3.46 0.15 -1.26 -4.86 113.70 98.53 1ot4 s SER 88 Ca -0.07 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1ot4 s SER 88 Cb 0.02 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1ot4 s SER 88 CO 0.10 -0.74 0.00 -0.67 1.20 0.00 0.00 173.24 173.13 1ot4 n ASP 89 N -0.43 -3.57 -3.31 5.45 2.03 -1.26 -4.44 116.55 111.03 1ot4 n ASP 89 Ca -0.07 0.47 -0.39 0.00 0.52 0.00 0.00 54.79 55.32 1ot4 n ASP 89 Cb 0.61 -1.98 0.01 0.00 -0.72 0.00 0.00 41.12 39.04 1ot4 n ASP 89 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ot4 n THR 90 N -3.21 5.03 -2.71 5.18 -2.24 -1.26 -4.50 114.28 110.57 1ot4 n THR 90 Ca -0.02 -4.94 -0.06 0.00 -2.27 0.00 0.00 64.05 56.75 1ot4 n THR 90 Cb 0.28 -1.57 0.07 0.00 -2.10 0.00 0.00 70.33 67.02 1ot4 n THR 90 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ot4 n HIS 91 N 0.24 -2.01 -0.42 4.78 -0.00 -1.26 -5.16 115.22 111.38 1ot4 n HIS 91 Ca 0.52 -1.33 0.00 0.00 -0.00 0.00 0.00 57.72 56.91 1ot4 n HIS 91 Cb 0.28 1.37 0.00 0.00 -0.00 0.00 0.00 29.99 31.64 1ot4 n HIS 91 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ot4 n PRO 92 N 1.31 0.16 -4.99 1.57 -0.04 -1.26 -4.62 135.00 127.13 1ot4 n PRO 92 Ca 0.04 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 1ot4 n PRO 92 Cb 0.68 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.99 1ot4 n PRO 92 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ot4 s ILE 93 N -0.56 2.07 0.40 0.52 -1.09 -0.60 -4.89 121.20 117.04 1ot4 s ILE 93 Ca 0.00 -1.29 0.08 0.00 -2.23 0.00 0.00 60.65 57.21 1ot4 s ILE 93 Cb 0.00 -1.75 -0.07 0.00 -1.58 0.00 0.00 42.46 39.05 1ot4 s ILE 93 CO 0.00 0.41 0.02 0.42 -1.23 0.00 0.00 174.94 174.56 1ot4 s THR 94 N -0.75 2.13 -0.04 2.92 -4.23 -1.26 -0.92 115.64 113.50 1ot4 s THR 94 Ca 0.11 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.33 1ot4 s THR 94 Cb -0.10 -2.93 0.11 0.00 1.34 0.00 0.00 72.50 70.92 1ot4 s THR 94 CO 0.01 -0.05 0.96 -0.83 -0.54 0.00 0.00 174.62 174.18 1ot4 s GLY 95 N -3.72 -0.42 -0.12 3.99 0.00 0.83 -4.93 107.32 102.94 1ot4 s GLY 95 Ca 0.35 1.09 -0.12 0.00 0.00 0.00 0.00 44.72 46.04 1ot4 s GLY 95 CO 0.19 0.36 0.35 -0.56 0.00 0.00 0.00 173.10 173.43 1ot4 s SER 96 N -2.45 -0.35 -0.29 1.64 0.01 -1.26 -0.40 113.70 110.60 1ot4 s SER 96 Ca 0.06 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.99 1ot4 s SER 96 Cb -0.01 0.69 0.09 0.00 0.21 0.00 0.00 66.02 66.99 1ot4 s SER 96 CO -0.08 -0.15 0.05 -0.69 0.41 0.00 0.00 173.24 172.78 1ot4 s VAL 97 N 0.07 1.30 0.19 3.43 1.01 0.15 -4.92 120.40 121.63 1ot4 s VAL 97 Ca -0.01 -1.50 -0.24 0.00 0.00 0.00 0.00 61.98 60.24 1ot4 s VAL 97 Cb -0.03 -1.87 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 1ot4 s VAL 97 CO 0.01 -0.49 0.77 0.28 0.00 0.00 0.00 175.10 175.66 1ot4 s THR 98 N 1.43 4.42 -0.04 3.92 -1.32 -1.26 -0.35 115.64 122.44 1ot4 s THR 98 Ca 0.06 1.59 -0.20 0.00 -1.21 0.00 0.00 61.69 61.93 1ot4 s THR 98 Cb -0.18 -4.05 0.04 0.00 -1.51 0.00 0.00 72.50 66.80 1ot4 s THR 98 CO -0.16 0.42 0.43 0.72 -2.21 0.00 0.00 174.62 173.82 1ot4 s PHE 99 N -1.27 -0.35 0.35 9.09 -0.12 -0.51 0.53 117.98 125.70 1ot4 s PHE 99 Ca 0.38 0.60 0.07 0.00 -0.05 0.00 0.00 56.93 57.94 1ot4 s PHE 99 Cb -0.21 0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.35 1ot4 s PHE 99 CO 0.24 -0.44 0.37 0.15 -0.05 0.00 0.00 175.22 175.49 1ot4 s LYS 100 N -1.14 2.82 -0.09 1.99 1.02 0.11 -1.60 119.74 122.85 1ot4 s LYS 100 Ca -0.12 -1.24 -0.04 0.00 0.02 0.00 0.00 55.97 54.60 1ot4 s LYS 100 Cb -0.04 -2.58 0.05 0.00 -0.52 0.00 0.00 37.83 34.75 1ot4 s LYS 100 CO 0.06 0.03 0.18 0.08 -0.92 0.00 0.00 175.35 174.78 1ot4 s VAL 101 N -2.29 -0.25 -1.09 3.17 1.01 0.11 -3.46 120.40 117.60 1ot4 s VAL 101 Ca 0.44 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.81 1ot4 s VAL 101 Cb -0.07 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 36.06 1ot4 s VAL 101 CO 0.28 0.13 0.78 0.29 0.00 0.00 0.00 175.10 176.58